Q6N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | N3 | sing | 1.47Å | 1.46Å | |
| C18 | N2 | sing | 1.47Å | 1.46Å | |
| N3 | C22 | sing | 1.47Å | 1.46Å | |
| N3 | C21 | sing | 1.47Å | 1.46Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| N2 | C19 | sing | 1.47Å | 1.46Å | |
| N2 | C17 | sing | 1.35Å | 1.35Å | |
| O2 | C17 | doub | 1.22Å | 1.22Å | |
| C17 | C14 | sing | 1.48Å | 1.53Å | |
| C26 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C13 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C24 | C12 | sing | 1.51Å | 1.52Å | |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C | O | sing | 1.43Å | 1.42Å | |
| C11 | C16 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | N1 | sing | 1.40Å | 1.43Å | |
| O | C1 | sing | 1.36Å | 1.37Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| N1 | N | sing | 1.40Å | 1.38Å | Aromatic |
| N1 | C8 | sing | 1.37Å | 1.37Å | Aromatic |
| C37 | C31 | sing | 1.53Å | 1.53Å | |
| C37 | C36 | sing | 1.53Å | 1.54Å | |
| C7 | C8 | sing | 1.48Å | 1.48Å | |
| C7 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C31 | C30 | sing | 1.53Å | 1.53Å | |
| N | C10 | doub | 1.32Å | 1.35Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.36Å | 1.37Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.37Å | |
| C32 | C33 | sing | 1.53Å | 1.53Å | |
| C30 | C29 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.41Å | 1.40Å | Aromatic |
| C10 | C27 | sing | 1.48Å | 1.48Å | |
| O1 | C6 | sing | 1.43Å | 1.43Å | |
| C36 | C35 | sing | 1.53Å | 1.53Å | |
| C36 | C28 | sing | 1.53Å | 1.55Å | |
| N4 | C27 | sing | 1.35Å | 1.34Å | |
| N4 | C28 | sing | 1.47Å | 1.46Å | |
| C27 | O3 | doub | 1.22Å | 1.23Å | |
| C35 | C33 | sing | 1.53Å | 1.53Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.55Å | |
| C28 | C38 | sing | 1.51Å | 1.53Å | |
| C29 | C34 | sing | 1.53Å | 1.54Å | |
| O4 | C38 | sing | 1.34Å | 1.30Å | |
| C38 | O5 | doub | 1.21Å | 1.22Å | |
| O4 | H50 | sing | 0.97Å | 0.95Å | |
| C36 | H47 | sing | 1.09Å | 1.10Å | |
| C37 | H48 | sing | 1.09Å | 1.10Å | |
| C37 | H49 | sing | 1.09Å | 1.10Å | |
| C31 | H39 | sing | 1.09Å | 1.10Å | |
| C30 | H37 | sing | 1.09Å | 1.10Å | |
| C30 | H38 | sing | 1.09Å | 1.10Å | |
| C35 | H45 | sing | 1.09Å | 1.10Å | |
| C35 | H46 | sing | 1.09Å | 1.10Å | |
| C33 | H42 | sing | 1.09Å | 1.10Å | |
| C32 | H41 | sing | 1.09Å | 1.10Å | |
| C32 | H40 | sing | 1.09Å | 1.10Å | |
| C34 | H43 | sing | 1.09Å | 1.10Å | |
| C34 | H44 | sing | 1.09Å | 1.10Å | |
| C29 | H36 | sing | 1.09Å | 1.10Å | |
| N4 | H35 | sing | 0.97Å | 1.00Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H8 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.08Å | 1.08Å | |
| C15 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H10 | sing | 1.08Å | 1.08Å | |
| C24 | H28 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H29 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H30 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H27 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N3 | C22 | 109.9° | 111.0° |
| C23 | N3 | C21 | 110.9° | 111.0° |
| N3 | C23 | H25 | 109.5° | 109.4° |
| N3 | C23 | H27 | 109.4° | 109.5° |
| N3 | C23 | H26 | 109.5° | 109.5° |
| C18 | N2 | C19 | 116.5° | 120.0° |
| C18 | N2 | C17 | 121.2° | 120.0° |
| N2 | C18 | H13 | 109.5° | 109.5° |
| N2 | C18 | H15 | 109.5° | 109.4° |
| N2 | C18 | H14 | 109.5° | 109.5° |
| C22 | N3 | C21 | 110.7° | 111.0° |
| N3 | C22 | H23 | 109.5° | 109.4° |
| N3 | C22 | H22 | 109.5° | 109.5° |
| N3 | C22 | H24 | 109.5° | 109.5° |
| N3 | C21 | C20 | 113.7° | 109.5° |
| N3 | C21 | H21 | 108.4° | 109.4° |
| N3 | C21 | H20 | 108.4° | 109.5° |
| C21 | C20 | C19 | 113.4° | 109.5° |
| C21 | C20 | H19 | 108.5° | 109.4° |
| C21 | C20 | H18 | 108.5° | 109.5° |
| C20 | C21 | H21 | 108.4° | 109.5° |
| C20 | C21 | H20 | 108.4° | 109.5° |
| C20 | C19 | N2 | 113.2° | 109.5° |
| C20 | C19 | H17 | 108.5° | 109.5° |
| C20 | C19 | H16 | 108.5° | 109.5° |
| C19 | C20 | H19 | 108.5° | 109.5° |
| C19 | C20 | H18 | 108.5° | 109.5° |
| C19 | N2 | C17 | 122.3° | 120.0° |
| N2 | C19 | H17 | 108.5° | 109.5° |
| N2 | C19 | H16 | 108.6° | 109.4° |
| N2 | C17 | O2 | 122.8° | 120.0° |
| N2 | C17 | C14 | 111.2° | 120.0° |
| O2 | C17 | C14 | 126.0° | 120.0° |
| C17 | C14 | C13 | 121.2° | 120.1° |
| C17 | C14 | C15 | 119.2° | 120.1° |
| C26 | C24 | C25 | 110.2° | 109.5° |
| C26 | C24 | C12 | 111.8° | 109.5° |
| C26 | C24 | H28 | 107.7° | 109.4° |
| C24 | C26 | H33 | 109.5° | 109.4° |
| C24 | C26 | H32 | 109.4° | 109.5° |
| C24 | C26 | H34 | 109.5° | 109.5° |
| C25 | C24 | C12 | 111.4° | 109.5° |
| C25 | C24 | H28 | 107.7° | 109.4° |
| C24 | C25 | H29 | 109.5° | 109.5° |
| C24 | C25 | H31 | 109.5° | 109.5° |
| C24 | C25 | H30 | 109.5° | 109.4° |
| C14 | C13 | C12 | 121.0° | 119.9° |
| C13 | C14 | C15 | 119.3° | 119.8° |
| C14 | C13 | H10 | 119.5° | 120.0° |
| C13 | C12 | C24 | 117.9° | 120.0° |
| C13 | C12 | C11 | 118.8° | 120.1° |
| C12 | C13 | H10 | 119.5° | 120.0° |
| C14 | C15 | C16 | 120.8° | 119.9° |
| C14 | C15 | H11 | 119.6° | 120.0° |
| C24 | C12 | C11 | 123.2° | 120.0° |
| C12 | C24 | H28 | 107.9° | 109.5° |
| C12 | C11 | C16 | 120.4° | 120.2° |
| C12 | C11 | N1 | 120.2° | 119.9° |
| C15 | C16 | C11 | 119.8° | 120.1° |
| C15 | C16 | H12 | 120.1° | 119.9° |
| C16 | C15 | H11 | 119.6° | 120.1° |
| C | O | C1 | 117.9° | 117.0° |
| O | C | H | 109.5° | 109.4° |
| O | C | H2 | 109.4° | 109.5° |
| O | C | H1 | 109.5° | 109.5° |
| C16 | C11 | N1 | 119.4° | 119.9° |
| C11 | C16 | H12 | 120.1° | 120.0° |
| C11 | N1 | N | 119.3° | 126.0° |
| C11 | N1 | C8 | 128.7° | 126.0° |
| O | C1 | C2 | 124.4° | 120.1° |
| O | C1 | C7 | 115.2° | 120.1° |
| C1 | C2 | C3 | 119.6° | 120.2° |
| C2 | C1 | C7 | 120.4° | 119.8° |
| C1 | C2 | H3 | 120.2° | 119.9° |
| C2 | C3 | C4 | 121.0° | 120.4° |
| C2 | C3 | H4 | 119.5° | 119.8° |
| C3 | C2 | H3 | 120.2° | 119.9° |
| C1 | C7 | C8 | 119.5° | 120.2° |
| C1 | C7 | C5 | 119.0° | 119.7° |
| C3 | C4 | C5 | 119.6° | 120.2° |
| C3 | C4 | H5 | 120.2° | 119.9° |
| C4 | C3 | H4 | 119.5° | 119.8° |
| N | N1 | C8 | 112.0° | 108.0° |
| N1 | N | C10 | 103.9° | 108.4° |
| N1 | C8 | C7 | 128.7° | 126.2° |
| N1 | C8 | C9 | 106.7° | 107.6° |
| C31 | C37 | C36 | 110.0° | 109.5° |
| C37 | C31 | C32 | 109.4° | 109.5° |
| C37 | C31 | C30 | 109.4° | 109.5° |
| C31 | C37 | H48 | 109.3° | 109.5° |
| C31 | C37 | H49 | 109.3° | 109.5° |
| C37 | C31 | H39 | 109.5° | 109.5° |
| C37 | C36 | C35 | 108.3° | 109.5° |
| C37 | C36 | C28 | 110.0° | 109.5° |
| C37 | C36 | H47 | 109.6° | 109.5° |
| C36 | C37 | H48 | 109.4° | 109.5° |
| C36 | C37 | H49 | 109.4° | 109.5° |
| C8 | C7 | C5 | 121.4° | 120.1° |
| C7 | C8 | C9 | 124.7° | 126.2° |
| C7 | C5 | C4 | 120.3° | 119.8° |
| C7 | C5 | O1 | 115.1° | 120.2° |
| C32 | C31 | C30 | 109.5° | 109.5° |
| C31 | C32 | C33 | 109.3° | 109.5° |
| C32 | C31 | H39 | 109.5° | 109.4° |
| C31 | C32 | H41 | 109.5° | 109.5° |
| C31 | C32 | H40 | 109.5° | 109.5° |
| C31 | C30 | C29 | 110.0° | 109.4° |
| C30 | C31 | H39 | 109.5° | 109.4° |
| C31 | C30 | H37 | 109.4° | 109.4° |
| C31 | C30 | H38 | 109.3° | 109.5° |
| N | C10 | C9 | 111.8° | 108.3° |
| N | C10 | C27 | 121.0° | 125.9° |
| C4 | C5 | O1 | 124.5° | 120.1° |
| C5 | C4 | H5 | 120.2° | 119.9° |
| C8 | C9 | C10 | 105.7° | 107.8° |
| C8 | C9 | H9 | 127.2° | 126.1° |
| C5 | O1 | C6 | 118.0° | 117.0° |
| C32 | C33 | C35 | 109.5° | 109.5° |
| C32 | C33 | C34 | 109.4° | 109.4° |
| C32 | C33 | H42 | 109.5° | 109.5° |
| C33 | C32 | H41 | 109.5° | 109.5° |
| C33 | C32 | H40 | 109.5° | 109.5° |
| C30 | C29 | C28 | 110.0° | 109.5° |
| C30 | C29 | C34 | 108.3° | 109.5° |
| C29 | C30 | H37 | 109.3° | 109.5° |
| C29 | C30 | H38 | 109.3° | 109.5° |
| C30 | C29 | H36 | 109.6° | 109.4° |
| C9 | C10 | C27 | 127.2° | 125.8° |
| C10 | C9 | H9 | 127.2° | 126.1° |
| C10 | C27 | N4 | 114.3° | 120.0° |
| C10 | C27 | O3 | 121.1° | 120.0° |
| O1 | C6 | H6 | 109.5° | 109.5° |
| O1 | C6 | H8 | 109.5° | 109.5° |
| O1 | C6 | H7 | 109.5° | 109.5° |
| C35 | C36 | C28 | 109.9° | 109.5° |
| C36 | C35 | C33 | 110.0° | 109.5° |
| C35 | C36 | H47 | 109.6° | 109.5° |
| C36 | C35 | H45 | 109.3° | 109.5° |
| C36 | C35 | H46 | 109.3° | 109.4° |
| C36 | C28 | N4 | 109.2° | 109.5° |
| C36 | C28 | C29 | 107.8° | 109.5° |
| C36 | C28 | C38 | 112.0° | 109.5° |
| C28 | C36 | H47 | 109.4° | 109.5° |
| C27 | N4 | C28 | 125.3° | 120.0° |
| N4 | C27 | O3 | 124.6° | 120.0° |
| C27 | N4 | H35 | 117.3° | 120.1° |
| N4 | C28 | C29 | 112.0° | 109.5° |
| N4 | C28 | C38 | 103.9° | 109.5° |
| C28 | N4 | H35 | 117.3° | 120.0° |
| C35 | C33 | C34 | 109.5° | 109.5° |
| C33 | C35 | H45 | 109.4° | 109.5° |
| C33 | C35 | H46 | 109.4° | 109.5° |
| C35 | C33 | H42 | 109.5° | 109.5° |
| C33 | C34 | C29 | 110.0° | 109.5° |
| C34 | C33 | H42 | 109.5° | 109.4° |
| C33 | C34 | H43 | 109.3° | 109.5° |
| C33 | C34 | H44 | 109.4° | 109.4° |
| C29 | C28 | C38 | 112.0° | 109.5° |
| C28 | C29 | C34 | 110.1° | 109.5° |
| C28 | C29 | H36 | 109.3° | 109.5° |
| C28 | C38 | O4 | 112.7° | 120.0° |
| C28 | C38 | O5 | 124.4° | 120.0° |
| C29 | C34 | H43 | 109.3° | 109.5° |
| C29 | C34 | H44 | 109.4° | 109.4° |
| C34 | C29 | H36 | 109.5° | 109.5° |
| O4 | C38 | O5 | 122.9° | 120.0° |
| C38 | O4 | H50 | 109.5° | 117.0° |
| H48 | C37 | H49 | 109.4° | 109.4° |
| H37 | C30 | H38 | 109.5° | 109.5° |
| H45 | C35 | H46 | 109.5° | 109.5° |
| H41 | C32 | H40 | 109.5° | 109.4° |
| H43 | C34 | H44 | 109.5° | 109.5° |
| H6 | C6 | H8 | 109.4° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.4° |
| H8 | C6 | H7 | 109.5° | 109.4° |
| H | C | H2 | 109.4° | 109.4° |
| H | C | H1 | 109.5° | 109.4° |
| H2 | C | H1 | 109.5° | 109.5° |
| H33 | C26 | H32 | 109.5° | 109.4° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H32 | C26 | H34 | 109.5° | 109.5° |
| H29 | C25 | H31 | 109.4° | 109.5° |
| H29 | C25 | H30 | 109.5° | 109.5° |
| H31 | C25 | H30 | 109.5° | 109.4° |
| H13 | C18 | H15 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H15 | C18 | H14 | 109.4° | 109.5° |
| H17 | C19 | H16 | 109.5° | 109.5° |
| H19 | C20 | H18 | 109.5° | 109.5° |
| H21 | C21 | H20 | 109.5° | 109.5° |
| H25 | C23 | H27 | 109.5° | 109.5° |
| H25 | C23 | H26 | 109.5° | 109.4° |
| H27 | C23 | H26 | 109.5° | 109.5° |
| H23 | C22 | H22 | 109.4° | 109.4° |
| H23 | C22 | H24 | 109.5° | 109.5° |
| H22 | C22 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N3 | C22 | C21 | 122.8° | 123.9° |
| C23 | N3 | C21 | C20 | 77.6° | 170.0° |
| C23 | N3 | C21 | H21 | 161.8° | 50.0° |
| C23 | N3 | C21 | H20 | 43.0° | 70.0° |
| N3 | C23 | H25 | H27 | 120.0° | 120.0° |
| N3 | C23 | H25 | H26 | 120.0° | 120.0° |
| N3 | C23 | H27 | H26 | 120.0° | 120.0° |
| C23 | N3 | C22 | H23 | 180.0° | 176.0° |
| C23 | N3 | C22 | H22 | 60.0° | 56.1° |
| C23 | N3 | C22 | H24 | 60.0° | 63.9° |
| C18 | N2 | C19 | C20 | 11.3° | 90.0° |
| C18 | N2 | C19 | C17 | 179.9° | 180.0° |
| C18 | N2 | C17 | O2 | 63.8° | 174.3° |
| C18 | N2 | C17 | C14 | 118.6° | 5.6° |
| N2 | C18 | H13 | H15 | 120.0° | 120.0° |
| N2 | C18 | H13 | H14 | 120.0° | 120.0° |
| N2 | C18 | H15 | H14 | 120.0° | 120.0° |
| C18 | N2 | C19 | H17 | 109.2° | 30.0° |
| C18 | N2 | C19 | H16 | 131.9° | 150.1° |
| C22 | N3 | C21 | C20 | 160.1° | 66.1° |
| C22 | N3 | C21 | H21 | 39.5° | 173.9° |
| C22 | N3 | C21 | H20 | 79.2° | 53.9° |
| C22 | N3 | C23 | H25 | 180.0° | 56.1° |
| C22 | N3 | C23 | H27 | 60.0° | 176.1° |
| C22 | N3 | C23 | H26 | 60.0° | 63.9° |
| N3 | C22 | H23 | H22 | 120.0° | 119.9° |
| N3 | C22 | H23 | H24 | 120.0° | 120.1° |
| N3 | C22 | H22 | H24 | 120.0° | 120.0° |
| N3 | C21 | C20 | H21 | 120.6° | 119.9° |
| N3 | C21 | C20 | H20 | 120.6° | 120.0° |
| N3 | C21 | C20 | C19 | 176.1° | 180.0° |
| N3 | C21 | C20 | H19 | 63.4° | 60.1° |
| N3 | C21 | C20 | H18 | 55.5° | 59.9° |
| N3 | C21 | H21 | H20 | 118.1° | 120.0° |
| C21 | N3 | C23 | H25 | 57.3° | 180.0° |
| C21 | N3 | C23 | H27 | 62.7° | 60.1° |
| C21 | N3 | C23 | H26 | 177.3° | 60.0° |
| C21 | N3 | C22 | H23 | 57.2° | 60.1° |
| C21 | N3 | C22 | H22 | 177.2° | 180.0° |
| C21 | N3 | C22 | H24 | 62.8° | 60.0° |
| C21 | C20 | C19 | H19 | 120.6° | 119.9° |
| C21 | C20 | C19 | H18 | 120.6° | 120.0° |
| C21 | C20 | C19 | N2 | 174.2° | 180.0° |
| C21 | C20 | C19 | H17 | 65.2° | 60.1° |
| C21 | C20 | C19 | H16 | 53.7° | 60.0° |
| C21 | C20 | H19 | H18 | 118.2° | 120.0° |
| C20 | C21 | H21 | H20 | 118.1° | 120.1° |
| C20 | C19 | N2 | H17 | 120.5° | 120.0° |
| C20 | C19 | N2 | H16 | 120.5° | 120.0° |
| C20 | C19 | N2 | C17 | 168.7° | 90.0° |
| C20 | C19 | H17 | H16 | 118.3° | 120.0° |
| C19 | C20 | H19 | H18 | 118.2° | 120.1° |
| C19 | C20 | C21 | H21 | 55.4° | 60.0° |
| C19 | C20 | C21 | H20 | 63.3° | 60.0° |
| C19 | N2 | C17 | O2 | 116.1° | 5.7° |
| C19 | N2 | C17 | C14 | 61.5° | 174.3° |
| C19 | N2 | C18 | H13 | 180.0° | 89.1° |
| C19 | N2 | C18 | H15 | 60.0° | 150.9° |
| C19 | N2 | C18 | H14 | 60.0° | 30.9° |
| N2 | C19 | H17 | H16 | 118.3° | 120.0° |
| N2 | C19 | C20 | H19 | 53.7° | 60.0° |
| N2 | C19 | C20 | H18 | 65.2° | 60.0° |
| N2 | C17 | O2 | C14 | 177.3° | 180.0° |
| N2 | C17 | C14 | C13 | 67.6° | 147.3° |
| N2 | C17 | C14 | C15 | 119.2° | 32.8° |
| C17 | N2 | C18 | H13 | 0.1° | 90.9° |
| C17 | N2 | C18 | H15 | 120.1° | 29.2° |
| C17 | N2 | C18 | H14 | 119.9° | 149.1° |
| C17 | N2 | C19 | H17 | 70.7° | 150.0° |
| C17 | N2 | C19 | H16 | 48.2° | 30.0° |
| O2 | C17 | C14 | C13 | 114.9° | 32.7° |
| O2 | C17 | C14 | C15 | 58.3° | 147.3° |
| C17 | C14 | C13 | C15 | 173.2° | 180.0° |
| C17 | C14 | C13 | C12 | 173.0° | 179.7° |
| C17 | C14 | C15 | C16 | 173.1° | 180.0° |
| C17 | C14 | C15 | H11 | 6.9° | 0.1° |
| C17 | C14 | C13 | H10 | 7.0° | 0.0° |
| C26 | C24 | C25 | C12 | 124.6° | 120.0° |
| C26 | C24 | C25 | H28 | 117.3° | 120.0° |
| C26 | C24 | C12 | C13 | 59.3° | 60.4° |
| C26 | C24 | C12 | H28 | 118.3° | 120.0° |
| C26 | C24 | C12 | C11 | 122.2° | 119.0° |
| C24 | C26 | H33 | H32 | 120.0° | 120.0° |
| C24 | C26 | H33 | H34 | 120.0° | 120.0° |
| C24 | C26 | H32 | H34 | 120.0° | 120.1° |
| C26 | C24 | C25 | H29 | 180.0° | 180.0° |
| C26 | C24 | C25 | H31 | 60.0° | 60.0° |
| C26 | C24 | C25 | H30 | 60.0° | 60.0° |
| C25 | C24 | C12 | C13 | 64.5° | 59.6° |
| C25 | C24 | C12 | H28 | 118.0° | 120.0° |
| C25 | C24 | C12 | C11 | 114.1° | 121.0° |
| C25 | C24 | C26 | H33 | 180.0° | 60.0° |
| C25 | C24 | C26 | H32 | 60.0° | 60.0° |
| C25 | C24 | C26 | H34 | 60.0° | 180.0° |
| C24 | C25 | H29 | H31 | 120.0° | 120.0° |
| C24 | C25 | H29 | H30 | 120.0° | 120.0° |
| C24 | C25 | H31 | H30 | 120.0° | 119.9° |
| C14 | C13 | C12 | H10 | 180.0° | 179.7° |
| C14 | C13 | C12 | C24 | 178.3° | 180.0° |
| C14 | C13 | C12 | C11 | 0.3° | 0.6° |
| C13 | C14 | C15 | C16 | 0.2° | 0.0° |
| C13 | C14 | C15 | H11 | 179.8° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.3° |
| C13 | C12 | C24 | C11 | 178.6° | 179.4° |
| C13 | C12 | C11 | C16 | 0.7° | 0.6° |
| C13 | C12 | C11 | N1 | 179.0° | 179.7° |
| C13 | C12 | C24 | H28 | 177.5° | 179.6° |
| C14 | C15 | C16 | H11 | 180.0° | 180.0° |
| C14 | C15 | C16 | C11 | 0.2° | 0.0° |
| C14 | C15 | C16 | H12 | 179.8° | 180.0° |
| C15 | C14 | C13 | H10 | 179.9° | 180.0° |
| C24 | C12 | C11 | C16 | 177.8° | 180.0° |
| C24 | C12 | C11 | N1 | 2.4° | 0.3° |
| C24 | C12 | C13 | H10 | 1.7° | 0.3° |
| C12 | C24 | C26 | H33 | 55.6° | 60.0° |
| C12 | C24 | C26 | H32 | 175.6° | 180.0° |
| C12 | C24 | C26 | H34 | 64.4° | 60.0° |
| C12 | C24 | C25 | H29 | 55.3° | 60.0° |
| C12 | C24 | C25 | H31 | 64.6° | 180.0° |
| C12 | C24 | C25 | H30 | 175.4° | 60.0° |
| C12 | C11 | C16 | C15 | 0.7° | 0.3° |
| C12 | C11 | C16 | N1 | 179.7° | 179.7° |
| C12 | C11 | N1 | N | 85.6° | 48.9° |
| C12 | C11 | N1 | C8 | 96.7° | 131.4° |
| C12 | C11 | C16 | H12 | 179.3° | 179.7° |
| C11 | C12 | C13 | H10 | 179.7° | 179.7° |
| C11 | C12 | C24 | H28 | 3.9° | 1.0° |
| C15 | C16 | C11 | H12 | 180.0° | 179.9° |
| C15 | C16 | C11 | N1 | 179.1° | 180.0° |
| C | O | C1 | C2 | 0.3° | 5.4° |
| C | O | C1 | C7 | 178.7° | 174.0° |
| O | C | H | H2 | 120.0° | 120.0° |
| O | C | H | H1 | 120.0° | 120.0° |
| O | C | H2 | H1 | 120.0° | 120.1° |
| C16 | C11 | N1 | N | 94.2° | 131.4° |
| C16 | C11 | N1 | C8 | 83.6° | 48.3° |
| C11 | C16 | C15 | H11 | 179.8° | 180.0° |
| C11 | N1 | N | C8 | 178.1° | 179.7° |
| C11 | N1 | C8 | C7 | 2.1° | 0.3° |
| C11 | N1 | N | C10 | 177.7° | 180.0° |
| C11 | N1 | C8 | C9 | 177.7° | 179.9° |
| N1 | C11 | C16 | H12 | 0.9° | 0.1° |
| O | C1 | C2 | C7 | 179.0° | 179.4° |
| O | C1 | C2 | C3 | 178.4° | 180.0° |
| O | C1 | C7 | C8 | 6.2° | 0.3° |
| O | C1 | C7 | C5 | 177.2° | 180.0° |
| O | C1 | C2 | H3 | 1.7° | 0.6° |
| C1 | O | C | H | 180.0° | 175.4° |
| C1 | O | C | H2 | 60.0° | 55.5° |
| C1 | O | C | H1 | 60.0° | 64.6° |
| C1 | C2 | C3 | H3 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 0.6° | 0.3° |
| C2 | C1 | C7 | C8 | 174.8° | 179.7° |
| C2 | C1 | C7 | C5 | 1.9° | 0.6° |
| C1 | C2 | C3 | H4 | 179.4° | 179.7° |
| C3 | C2 | C1 | C7 | 0.6° | 0.6° |
| C2 | C3 | C4 | H4 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.6° | 0.0° |
| C2 | C3 | C4 | H5 | 179.4° | 180.0° |
| C1 | C7 | C8 | N1 | 96.6° | 51.1° |
| C1 | C7 | C8 | C5 | 176.6° | 179.7° |
| C1 | C7 | C5 | C4 | 1.9° | 0.2° |
| C1 | C7 | C8 | C9 | 83.7° | 128.5° |
| C1 | C7 | C5 | O1 | 176.5° | 179.7° |
| C7 | C1 | C2 | H3 | 179.4° | 180.0° |
| C3 | C4 | C5 | C7 | 0.7° | 0.1° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C3 | C4 | C5 | O1 | 177.5° | 180.0° |
| C4 | C3 | C2 | H3 | 179.4° | 179.7° |
| N | N1 | C8 | C7 | 180.0° | 180.0° |
| N | N1 | C8 | C9 | 0.2° | 0.4° |
| N1 | N | C10 | C9 | 0.4° | 0.1° |
| N1 | N | C10 | C27 | 177.9° | 179.7° |
| N1 | C8 | C7 | C9 | 179.7° | 179.6° |
| N1 | C8 | C7 | C5 | 80.0° | 129.2° |
| C8 | N1 | N | C10 | 0.4° | 0.3° |
| N1 | C8 | C9 | C10 | 0.1° | 0.3° |
| N1 | C8 | C9 | H9 | 179.9° | 179.6° |
| C31 | C37 | C36 | H48 | 120.1° | 120.0° |
| C31 | C37 | C36 | H49 | 120.1° | 120.0° |
| C37 | C31 | C32 | C30 | 120.0° | 120.0° |
| C37 | C31 | C32 | H39 | 120.0° | 120.0° |
| C37 | C31 | C30 | H39 | 120.0° | 120.0° |
| C37 | C31 | C32 | C33 | 60.0° | 60.0° |
| C37 | C31 | C30 | C29 | 59.6° | 60.0° |
| C31 | C37 | C36 | C35 | 60.0° | 60.0° |
| C31 | C37 | C36 | C28 | 60.2° | 60.0° |
| C31 | C37 | C36 | H47 | 179.4° | 180.0° |
| C31 | C37 | H48 | H49 | 119.7° | 120.0° |
| C37 | C31 | C30 | H37 | 60.5° | 60.0° |
| C37 | C31 | C30 | H38 | 179.7° | 180.0° |
| C37 | C31 | C32 | H41 | 180.0° | 180.0° |
| C37 | C31 | C32 | H40 | 60.0° | 60.1° |
| C36 | C37 | C31 | C32 | 60.6° | 60.0° |
| C36 | C37 | C31 | C30 | 59.4° | 60.0° |
| C37 | C36 | C35 | C28 | 120.3° | 120.0° |
| C37 | C36 | C35 | H47 | 119.5° | 120.0° |
| C37 | C36 | C28 | H47 | 120.4° | 120.0° |
| C37 | C36 | C28 | N4 | 62.4° | 60.0° |
| C37 | C36 | C35 | C33 | 59.8° | 60.0° |
| C37 | C36 | C28 | C29 | 59.5° | 60.0° |
| C37 | C36 | C28 | C38 | 176.9° | 180.0° |
| C36 | C37 | H48 | H49 | 119.8° | 120.0° |
| C36 | C37 | C31 | H39 | 179.4° | 180.0° |
| C37 | C36 | C35 | H45 | 60.3° | 60.0° |
| C37 | C36 | C35 | H46 | 179.9° | 180.0° |
| C8 | C7 | C5 | C4 | 174.7° | 180.0° |
| C8 | C7 | C5 | O1 | 7.0° | 0.0° |
| C7 | C8 | C9 | C10 | 179.7° | 180.0° |
| C7 | C8 | C9 | H9 | 0.3° | 0.1° |
| C7 | C5 | C4 | O1 | 178.2° | 180.0° |
| C5 | C7 | C8 | C9 | 99.7° | 51.2° |
| C7 | C5 | O1 | C6 | 169.2° | 180.0° |
| C7 | C5 | C4 | H5 | 179.3° | 180.0° |
| C32 | C31 | C30 | H39 | 120.1° | 119.9° |
| C31 | C32 | C33 | H41 | 120.0° | 120.0° |
| C31 | C32 | C33 | H40 | 120.0° | 120.0° |
| C32 | C31 | C30 | C29 | 60.4° | 60.0° |
| C31 | C32 | C33 | C35 | 60.0° | 60.0° |
| C31 | C32 | C33 | C34 | 60.0° | 60.0° |
| C32 | C31 | C37 | H48 | 59.5° | 180.0° |
| C32 | C31 | C37 | H49 | 179.3° | 60.0° |
| C32 | C31 | C30 | H37 | 179.6° | 180.0° |
| C32 | C31 | C30 | H38 | 59.7° | 60.0° |
| C31 | C32 | C33 | H42 | 180.0° | 180.0° |
| C31 | C32 | H41 | H40 | 120.1° | 120.0° |
| C30 | C31 | C32 | C33 | 59.9° | 60.0° |
| C31 | C30 | C29 | H37 | 120.1° | 120.0° |
| C31 | C30 | C29 | H38 | 120.1° | 120.0° |
| C31 | C30 | C29 | C28 | 60.5° | 60.0° |
| C31 | C30 | C29 | C34 | 59.8° | 60.0° |
| C30 | C31 | C37 | H48 | 179.5° | 60.0° |
| C30 | C31 | C37 | H49 | 60.7° | 180.0° |
| C31 | C30 | H37 | H38 | 119.8° | 120.0° |
| C30 | C31 | C32 | H41 | 60.0° | 60.0° |
| C30 | C31 | C32 | H40 | 179.9° | 179.9° |
| C31 | C30 | C29 | H36 | 179.3° | 180.0° |
| N | C10 | C9 | C8 | 0.3° | 0.2° |
| N | C10 | C9 | C27 | 178.2° | 179.8° |
| N | C10 | C27 | N4 | 1.8° | 0.3° |
| N | C10 | C27 | O3 | 177.5° | 179.7° |
| N | C10 | C9 | H9 | 179.7° | 179.8° |
| C4 | C5 | O1 | C6 | 12.5° | 0.0° |
| C5 | C4 | C3 | H4 | 179.4° | 180.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C27 | 177.9° | 180.0° |
| C5 | O1 | C6 | H6 | 180.0° | 180.0° |
| C5 | O1 | C6 | H8 | 60.0° | 59.9° |
| C5 | O1 | C6 | H7 | 60.0° | 60.0° |
| O1 | C5 | C4 | H5 | 2.5° | 0.1° |
| C32 | C33 | C35 | C36 | 60.4° | 60.0° |
| C32 | C33 | C35 | C34 | 119.9° | 120.0° |
| C32 | C33 | C35 | H42 | 120.0° | 120.0° |
| C32 | C33 | C34 | H42 | 120.0° | 120.0° |
| C32 | C33 | C34 | C29 | 60.6° | 60.0° |
| C33 | C32 | C31 | H39 | 180.0° | 180.0° |
| C32 | C33 | C35 | H45 | 59.7° | 60.0° |
| C32 | C33 | C35 | H46 | 179.5° | 180.0° |
| C33 | C32 | H41 | H40 | 120.1° | 120.0° |
| C32 | C33 | C34 | H43 | 59.5° | 60.0° |
| C32 | C33 | C34 | H44 | 179.3° | 179.9° |
| C30 | C29 | C28 | C36 | 59.7° | 60.0° |
| C30 | C29 | C28 | N4 | 60.5° | 60.0° |
| C30 | C29 | C34 | C33 | 60.0° | 60.0° |
| C30 | C29 | C28 | C34 | 119.3° | 120.0° |
| C30 | C29 | C28 | H36 | 120.3° | 120.0° |
| C30 | C29 | C28 | C38 | 176.7° | 180.0° |
| C30 | C29 | C34 | H36 | 119.5° | 120.0° |
| C29 | C30 | C31 | H39 | 179.6° | 179.9° |
| C29 | C30 | H37 | H38 | 119.7° | 120.0° |
| C30 | C29 | C34 | H43 | 60.1° | 60.0° |
| C30 | C29 | C34 | H44 | 179.9° | 180.0° |
| C9 | C10 | C27 | N4 | 179.9° | 179.9° |
| C9 | C10 | C27 | O3 | 0.6° | 0.0° |
| C10 | C27 | N4 | O3 | 179.3° | 180.0° |
| C10 | C27 | N4 | C28 | 179.2° | 180.0° |
| C10 | C27 | N4 | H35 | 0.8° | 0.0° |
| C27 | C10 | C9 | H9 | 2.1° | 0.0° |
| O1 | C6 | H6 | H8 | 120.0° | 120.1° |
| O1 | C6 | H6 | H7 | 120.0° | 120.0° |
| O1 | C6 | H8 | H7 | 120.0° | 120.0° |
| C35 | C36 | C28 | H47 | 120.4° | 120.0° |
| C35 | C36 | C28 | N4 | 178.4° | 180.0° |
| C36 | C35 | C33 | H45 | 120.0° | 120.0° |
| C36 | C35 | C33 | H46 | 120.1° | 120.0° |
| C36 | C35 | C33 | C34 | 59.6° | 60.0° |
| C35 | C36 | C28 | C29 | 59.7° | 60.0° |
| C35 | C36 | C28 | C38 | 63.9° | 60.0° |
| C35 | C36 | C37 | H48 | 60.2° | 180.0° |
| C35 | C36 | C37 | H49 | 180.0° | 60.0° |
| C36 | C35 | H45 | H46 | 119.8° | 120.0° |
| C36 | C35 | C33 | H42 | 179.6° | 180.0° |
| C36 | C28 | N4 | C27 | 172.9° | 60.0° |
| C36 | C28 | N4 | C29 | 119.4° | 120.0° |
| C36 | C28 | N4 | C38 | 119.6° | 120.0° |
| C28 | C36 | C35 | C33 | 60.5° | 60.0° |
| C36 | C28 | C29 | C38 | 123.6° | 120.0° |
| C36 | C28 | C29 | C34 | 59.6° | 60.0° |
| C36 | C28 | C38 | O4 | 44.7° | 160.5° |
| C36 | C28 | C38 | O5 | 136.2° | 19.2° |
| C28 | C36 | C37 | H48 | 179.6° | 60.0° |
| C28 | C36 | C37 | H49 | 59.8° | 180.0° |
| C28 | C36 | C35 | H45 | 179.5° | 180.0° |
| C28 | C36 | C35 | H46 | 59.6° | 60.0° |
| C36 | C28 | C29 | H36 | 180.0° | 180.0° |
| C36 | C28 | N4 | H35 | 7.1° | 120.0° |
| C27 | N4 | C28 | H35 | 180.0° | 180.0° |
| C27 | N4 | C28 | C29 | 53.5° | 180.0° |
| C27 | N4 | C28 | C38 | 67.5° | 60.0° |
| C28 | N4 | C27 | O3 | 1.5° | 0.0° |
| N4 | C28 | C29 | C38 | 116.2° | 120.0° |
| N4 | C28 | C29 | C34 | 179.8° | 180.0° |
| N4 | C28 | C38 | O4 | 73.0° | 40.5° |
| N4 | C28 | C38 | O5 | 106.0° | 139.2° |
| N4 | C28 | C36 | H47 | 58.0° | 60.0° |
| N4 | C28 | C29 | H36 | 59.8° | 60.0° |
| O3 | C27 | N4 | H35 | 178.5° | 180.0° |
| C35 | C33 | C34 | H42 | 120.0° | 120.0° |
| C35 | C33 | C34 | C29 | 59.4° | 60.0° |
| C33 | C35 | C36 | H47 | 179.3° | 180.0° |
| C33 | C35 | H45 | H46 | 119.8° | 120.0° |
| C35 | C33 | C32 | H41 | 179.9° | 180.0° |
| C35 | C33 | C32 | H40 | 60.0° | 60.0° |
| C35 | C33 | C34 | H43 | 179.5° | 180.0° |
| C35 | C33 | C34 | H44 | 60.7° | 60.0° |
| C33 | C34 | C29 | C28 | 60.3° | 60.0° |
| C33 | C34 | C29 | H43 | 120.1° | 120.0° |
| C33 | C34 | C29 | H44 | 120.1° | 119.9° |
| C34 | C33 | C35 | H45 | 179.6° | 180.0° |
| C34 | C33 | C35 | H46 | 60.5° | 60.0° |
| C34 | C33 | C32 | H41 | 59.9° | 60.0° |
| C34 | C33 | C32 | H40 | 180.0° | 180.0° |
| C33 | C34 | H43 | H44 | 119.8° | 120.0° |
| C33 | C34 | C29 | H36 | 179.5° | 180.0° |
| C28 | C29 | C34 | H36 | 120.3° | 120.0° |
| C29 | C28 | C38 | O4 | 165.9° | 79.5° |
| C29 | C28 | C38 | O5 | 15.0° | 100.8° |
| C29 | C28 | C36 | H47 | 180.0° | 180.0° |
| C28 | C29 | C30 | H37 | 59.6° | 60.0° |
| C28 | C29 | C30 | H38 | 179.4° | 180.0° |
| C28 | C29 | C34 | H43 | 179.7° | 180.0° |
| C28 | C29 | C34 | H44 | 59.8° | 60.0° |
| C29 | C28 | N4 | H35 | 126.5° | 0.0° |
| C38 | C28 | C29 | C34 | 64.0° | 60.0° |
| C28 | C38 | O4 | O5 | 179.1° | 179.7° |
| C28 | C38 | O4 | H50 | 179.1° | 179.7° |
| C38 | C28 | C36 | H47 | 56.5° | 60.0° |
| C38 | C28 | C29 | H36 | 56.4° | 60.0° |
| C38 | C28 | N4 | H35 | 112.5° | 120.0° |
| C34 | C29 | C30 | H37 | 179.9° | 180.0° |
| C34 | C29 | C30 | H38 | 60.3° | 60.0° |
| C29 | C34 | C33 | H42 | 179.4° | 180.0° |
| C29 | C34 | H43 | H44 | 119.8° | 120.0° |
| O5 | C38 | O4 | H50 | 0.0° | 0.0° |
| H47 | C36 | C37 | H48 | 59.3° | 60.0° |
| H47 | C36 | C37 | H49 | 60.5° | 60.0° |
| H47 | C36 | C35 | H45 | 59.2° | 60.0° |
| H47 | C36 | C35 | H46 | 60.7° | 60.0° |
| H48 | C37 | C31 | H39 | 60.5° | 60.0° |
| H49 | C37 | C31 | H39 | 59.3° | 60.0° |
| H39 | C31 | C30 | H37 | 59.5° | 60.1° |
| H39 | C31 | C30 | H38 | 60.4° | 60.0° |
| H39 | C31 | C32 | H41 | 60.0° | 60.0° |
| H39 | C31 | C32 | H40 | 60.0° | 60.0° |
| H37 | C30 | C29 | H36 | 60.6° | 60.0° |
| H38 | C30 | C29 | H36 | 59.2° | 60.0° |
| H45 | C35 | C33 | H42 | 60.4° | 60.0° |
| H46 | C35 | C33 | H42 | 59.5° | 60.0° |
| H42 | C33 | C32 | H41 | 60.1° | 60.0° |
| H42 | C33 | C32 | H40 | 60.0° | 60.0° |
| H42 | C33 | C34 | H43 | 60.5° | 60.0° |
| H42 | C33 | C34 | H44 | 59.3° | 60.1° |
| H43 | C34 | C29 | H36 | 59.4° | 60.0° |
| H44 | C34 | C29 | H36 | 60.4° | 60.1° |
| H6 | C6 | H8 | H7 | 120.0° | 119.9° |
| H5 | C4 | C3 | H4 | 0.6° | 0.1° |
| H4 | C3 | C2 | H3 | 0.6° | 0.2° |
| H | C | H2 | H1 | 120.0° | 120.0° |
| H12 | C16 | C15 | H11 | 0.2° | 0.1° |
| H28 | C24 | C26 | H33 | 62.7° | 179.9° |
| H28 | C24 | C26 | H32 | 57.3° | 60.0° |
| H28 | C24 | C26 | H34 | 177.3° | 60.1° |
| H28 | C24 | C25 | H29 | 62.8° | 60.0° |
| H28 | C24 | C25 | H31 | 177.3° | 60.0° |
| H28 | C24 | C25 | H30 | 57.3° | 180.0° |
| H33 | C26 | H32 | H34 | 120.0° | 120.0° |
| H29 | C25 | H31 | H30 | 120.0° | 120.0° |
| H13 | C18 | H15 | H14 | 120.0° | 120.0° |
| H17 | C19 | C20 | H19 | 174.2° | 180.0° |
| H17 | C19 | C20 | H18 | 55.3° | 59.9° |
| H16 | C19 | C20 | H19 | 66.9° | 59.9° |
| H16 | C19 | C20 | H18 | 174.3° | 180.0° |
| H19 | C20 | C21 | H21 | 176.0° | 180.0° |
| H19 | C20 | C21 | H20 | 57.2° | 60.0° |
| H18 | C20 | C21 | H21 | 65.1° | 60.0° |
| H18 | C20 | C21 | H20 | 176.1° | 180.0° |
| H25 | C23 | H27 | H26 | 120.0° | 120.0° |
| H23 | C22 | H22 | H24 | 120.0° | 120.1° |
